Home > Compound List > Compound details
86926-54-7 molecular structure
click picture or here to close

[(4-methylphenyl)methyl](prop-2-en-1-yl)amine

ChemBase ID: 312337
Molecular Formular: C11H15N
Molecular Mass: 161.2435
Monoisotopic Mass: 161.12044949
SMILES and InChIs

SMILES:
C(=C)CNCc1ccc(cc1)C
Canonical SMILES:
C=CCNCc1ccc(cc1)C
InChI:
InChI=1S/C11H15N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3-7,12H,1,8-9H2,2H3
InChIKey:
PRUULPKRGUFODM-UHFFFAOYSA-N

Cite this record

CBID:312337 http://www.chembase.cn/molecule-312337.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methylphenyl)methyl](prop-2-en-1-yl)amine
IUPAC Traditional name
[(4-methylphenyl)methyl](prop-2-en-1-yl)amine
Synonyms
N-(4-methylbenzyl)-2-propen-1-amine
CAS Number
86926-54-7
MDL Number
MFCD07406231

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9070773 external link Add to cart
Data Source Data ID Price
ChemBridge
9070773 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.3205589  LogD (pH = 7.4) 1.0391506 
Log P 2.7762659  Molar Refractivity 53.5099 cm3
Polarizability 20.827501 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle